Field-based comparison of ligand and coactivator binding sites of nuclear receptors.

@article{Wohlfahrt2009FieldbasedCO,
  title={Field-based comparison of ligand and coactivator binding sites of nuclear receptors.},
  author={Gerd Wohlfahrt and Julius Sipil{\"a} and Lars-Olof Pietil{\"a}},
  journal={Biopolymers},
  year={2009},
  volume={91 10},
  pages={884-94}
}
A structure-based comparison of the ligand-binding domains of 35 nuclear receptors from five different subfamilies is presented. Their ligand and coactivator binding sites are characterized using knowledge-based contact preference fields for hydrophobic and hydrophilic interactions implemented in the MOE modeling environment. Additionally, for polar knowledge-based field points the preference for negative or positive electrostatic interactions is estimated using the Poisson-Boltzmann equation… CONTINUE READING

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